UCSF

ZINC06314675

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 -2.88 -18.66 1 7 0 96 398.469 4
Mid Mid (pH 6-8) 0.41 -3.01 -24.38 0 7 0 93 398.469 4
Lo Low (pH 4.5-6) 1.45 -3.15 -67.33 2 7 1 97 399.477 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )